2-(2-ethyl-1,3-thiazol-5-yl)-5-(1-fluoroethyl)-2,3-dihydro-1,3,4-oxadiazole

C9H12FN3OS — CID 156799456

IUPAC2-(2-ethyl-1,3-thiazol-5-yl)-5-(1-fluoroethyl)-2,3-dihydro-1,3,4-oxadiazole
SMILESCCc1ncc(C2NN=C(C(C)F)O2)s1
InChIInChI=1S/C9H12FN3OS/c1-3-7-11-4-6(15-7)9-13-12-8(14-9)5(2)10/h4-5,9,13H,3H2,1-2H3
InChIKeyOXMKCMATJRTWCN-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.00
Rot. Bonds3

About 2-(2-ethyl-1,3-thiazol-5-yl)-5-(1-fluoroethyl)-2,3-dihydro-1,3,4-oxadiazole

2-(2-ethyl-1,3-thiazol-5-yl)-5-(1-fluoroethyl)-2,3-dihydro-1,3,4-oxadiazole (PubChem CID 156799456) has the molecular formula C9H12FN3OS and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-(2-ethyl-1,3-thiazol-5-yl)-5-(1-fluoroethyl)-2,3-dihydro-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2-ethyl-1,3-thiazol-5-yl)-5-(1-fluoroethyl)-2,3-dihydro-1,3,4-oxadiazole
PubChem CID156799456
Molecular FormulaC9H12FN3OS
Molecular Weight229.28 g/mol
Exact Mass229.07
IUPAC Name2-(2-ethyl-1,3-thiazol-5-yl)-5-(1-fluoroethyl)-2,3-dihydro-1,3,4-oxadiazole
SMILESCCc1ncc(C2NN=C(C(C)F)O2)s1
InChIInChI=1S/C9H12FN3OS/c1-3-7-11-4-6(15-7)9-13-12-8(14-9)5(2)10/h4-5,9,13H,3H2,1-2H3
InChIKeyOXMKCMATJRTWCN-UHFFFAOYSA-N
XLogP2.00
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-1,3-thiazol-5-yl)-5-(1-fluoroethyl)-2,3-dihydro-1,3,4-oxadiazole?
The IUPAC name of 2-(2-ethyl-1,3-thiazol-5-yl)-5-(1-fluoroethyl)-2,3-dihydro-1,3,4-oxadiazole (CID 156799456) is 2-(2-ethyl-1,3-thiazol-5-yl)-5-(1-fluoroethyl)-2,3-dihydro-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2-ethyl-1,3-thiazol-5-yl)-5-(1-fluoroethyl)-2,3-dihydro-1,3,4-oxadiazole?
The canonical SMILES for 2-(2-ethyl-1,3-thiazol-5-yl)-5-(1-fluoroethyl)-2,3-dihydro-1,3,4-oxadiazole is CCc1ncc(C2NN=C(C(C)F)O2)s1.
What is the InChIKey of 2-(2-ethyl-1,3-thiazol-5-yl)-5-(1-fluoroethyl)-2,3-dihydro-1,3,4-oxadiazole?
The InChIKey is OXMKCMATJRTWCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN3OS/c1-3-7-11-4-6(15-7)9-13-12-8(14-9)5(2)10/h4-5,9,13H,3H2,1-2H3.
What are the key properties of 2-(2-ethyl-1,3-thiazol-5-yl)-5-(1-fluoroethyl)-2,3-dihydro-1,3,4-oxadiazole?
2-(2-ethyl-1,3-thiazol-5-yl)-5-(1-fluoroethyl)-2,3-dihydro-1,3,4-oxadiazole has a molecular weight of 229.28 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-1,3-thiazol-5-yl)-5-(1-fluoroethyl)-2,3-dihydro-1,3,4-oxadiazole is sourced from PubChem (CID 156799456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).